N-cyclopropyl-6-oxopyran-3-carboxamide

C9H9NO3 — CID 110697434

IUPACN-cyclopropyl-6-oxopyran-3-carboxamide
SMILESO=C(NC1CC1)c1ccc(=O)oc1
InChIInChI=1S/C9H9NO3/c11-8-4-1-6(5-13-8)9(12)10-7-2-3-7/h1,4-5,7H,2-3H2,(H,10,12)
InChIKeyRXDHANXXKOAWEH-UHFFFAOYSA-N
MW179.18 g/mol
LogP0.53
Rot. Bonds2

About N-cyclopropyl-6-oxopyran-3-carboxamide

N-cyclopropyl-6-oxopyran-3-carboxamide (PubChem CID 110697434) has the molecular formula C9H9NO3 and a molecular weight of 179.18 g/mol. Its IUPAC name is N-cyclopropyl-6-oxopyran-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-6-oxopyran-3-carboxamide
PubChem CID110697434
Molecular FormulaC9H9NO3
Molecular Weight179.18 g/mol
Exact Mass179.06
IUPAC NameN-cyclopropyl-6-oxopyran-3-carboxamide
SMILESO=C(NC1CC1)c1ccc(=O)oc1
InChIInChI=1S/C9H9NO3/c11-8-4-1-6(5-13-8)9(12)10-7-2-3-7/h1,4-5,7H,2-3H2,(H,10,12)
InChIKeyRXDHANXXKOAWEH-UHFFFAOYSA-N
XLogP0.53
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-oxopyran-3-carboxamide?
The IUPAC name of N-cyclopropyl-6-oxopyran-3-carboxamide (CID 110697434) is N-cyclopropyl-6-oxopyran-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-6-oxopyran-3-carboxamide?
The canonical SMILES for N-cyclopropyl-6-oxopyran-3-carboxamide is O=C(NC1CC1)c1ccc(=O)oc1.
What is the InChIKey of N-cyclopropyl-6-oxopyran-3-carboxamide?
The InChIKey is RXDHANXXKOAWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO3/c11-8-4-1-6(5-13-8)9(12)10-7-2-3-7/h1,4-5,7H,2-3H2,(H,10,12).
What are the key properties of N-cyclopropyl-6-oxopyran-3-carboxamide?
N-cyclopropyl-6-oxopyran-3-carboxamide has a molecular weight of 179.18 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-oxopyran-3-carboxamide is sourced from PubChem (CID 110697434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).